2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol

C123H165NO9S3 — CID 139258640

IUPAC2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol
SMILESCCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCO)cc21
InChIInChI=1S/C123H165NO9S3/c1-7-13-19-25-31-37-43-79-121(80-44-38-32-26-20-14-8-2)115-91-100(61-73-109(115)112-76-70-106(94-118(112)121)134(128,129)88-85-125)52-49-97-55-64-103(65-56-97)124(104-66-57-98(58-67-104)50-53-101-62-74-110-113-77-71-107(135(130,131)89-86-126)95-119(113)122(116(110)92-101,81-45-39-33-27-21-15-9-3)82-46-40-34-28-22-16-10-4)105-68-59-99(60-69-105)51-54-102-63-75-111-114-78-72-108(136(132,133)90-87-127)96-120(114)123(117(111)93-102,83-47-41-35-29-23-17-11-5)84-48-42-36-30-24-18-12-6/h49-78,91-96,125-127H,7-48,79-90H2,1-6H3/b52-49+,53-50+,54-51+
InChIKeyIPSPLIGLFIMURG-WSUSHDEBSA-N
MW1897.87 g/mol
LogP33.61
Rot. Bonds66

About 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol

2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol (PubChem CID 139258640) has the molecular formula C123H165NO9S3 and a molecular weight of 1897.87 g/mol. Its IUPAC name is 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol
PubChem CID139258640
Molecular FormulaC123H165NO9S3
Molecular Weight1897.87 g/mol
Exact Mass1896.16
IUPAC Name2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol
SMILESCCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCO)cc21
InChIInChI=1S/C123H165NO9S3/c1-7-13-19-25-31-37-43-79-121(80-44-38-32-26-20-14-8-2)115-91-100(61-73-109(115)112-76-70-106(94-118(112)121)134(128,129)88-85-125)52-49-97-55-64-103(65-56-97)124(104-66-57-98(58-67-104)50-53-101-62-74-110-113-77-71-107(135(130,131)89-86-126)95-119(113)122(116(110)92-101,81-45-39-33-27-21-15-9-3)82-46-40-34-28-22-16-10-4)105-68-59-99(60-69-105)51-54-102-63-75-111-114-78-72-108(136(132,133)90-87-127)96-120(114)123(117(111)93-102,83-47-41-35-29-23-17-11-5)84-48-42-36-30-24-18-12-6/h49-78,91-96,125-127H,7-48,79-90H2,1-6H3/b52-49+,53-50+,54-51+
InChIKeyIPSPLIGLFIMURG-WSUSHDEBSA-N
XLogP33.61
TPSA166.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds66
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001897.87
LogP ≤ 533.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol with MolForge

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Related Compounds

4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
CID 139258639
4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
CID 102507465
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
4-[(E)-2-[7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]-9,9-dipropylfluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 10898275
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
2-N,2-N,7-N,7-N-tetrakis(4-bromophenyl)-9,9-dihexylfluorene-2,7-diamine
CID 134849382
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
1-[N-methyl-4-[2-(4-octylsulfonylphenyl)ethenyl]anilino]ethanol
CID 67847329
7-[7-(7-formyl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene-2-carbaldehyde
CID 23624923

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol?
The IUPAC name of 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol (CID 139258640) is 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol.
What is the SMILES notation for 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol?
The canonical SMILES for 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol is CCCCCCCCCC1(CCCCCCCCC)c2cc(/C=C/c3ccc(N(c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)c4ccc(/C=C/c5ccc6c(c5)C(CCCCCCCCC)(CCCCCCCCC)c5cc(S(=O)(=O)CCO)ccc5-6)cc4)cc3)ccc2-c2ccc(S(=O)(=O)CCO)cc21.
What is the InChIKey of 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol?
The InChIKey is IPSPLIGLFIMURG-WSUSHDEBSA-N. The full InChI is InChI=1S/C123H165NO9S3/c1-7-13-19-25-31-37-43-79-121(80-44-38-32-26-20-14-8-2)115-91-100(61-73-109(115)112-76-70-106(94-118(112)121)134(128,129)88-85-125)52-49-97-55-64-103(65-56-97)124(104-66-57-98(58-67-104)50-53-101-62-74-110-113-77-71-107(135(130,131)89-86-126)95-119(113)122(116(110)92-101,81-45-39-33-27-21-15-9-3)82-46-40-34-28-22-16-10-4)105-68-59-99(60-69-105)51-54-102-63-75-111-114-78-72-108(136(132,133)90-87-127)96-120(114)123(117(111)93-102,83-47-41-35-29-23-17-11-5)84-48-42-36-30-24-18-12-6/h49-78,91-96,125-127H,7-48,79-90H2,1-6H3/b52-49+,53-50+,54-51+.
What are the key properties of 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol?
2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol has a molecular weight of 1897.87 g/mol, XLogP of 33.61, 66 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(E)-2-[4-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]-N-[4-[(E)-2-[7-(2-hydroxyethylsulfonyl)-9,9-di(nonyl)fluoren-2-yl]ethenyl]phenyl]anilino]phenyl]ethenyl]-9,9-di(nonyl)fluoren-2-yl]sulfonylethanol is sourced from PubChem (CID 139258640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).